(1s 2 2s 2 2p 6 3s 2 3p 4 5s 1 ) 4 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5s- electron | |
| 1 | 1s | 12.512607 | .02868601 |
| 2 | 2s | 8.187866 | -.06272691 |
| 3 | 3s | 4.512095 | .02523910 |
| 4 | 4s | 1.181614 | -.70556268 |
| 5 | 5s | .688047 | 1.14724322 |
| 6 | 5s | 15.663241 | -.00228912 |
| 7 | 3s | 2.812001 | .20834319 |
| 8 | 4s | 7.941919 | -.04275335 |
| 9 | 2s | .304864 | .02635478 |
| 10 | 4s | 35.325595 | .00011711 |
| ORB.ENERGY,a.u. | -.368960 | ||
| NORM | 1.000000 | < R > | 8.323118 | < R2 > | 77.546941 | < 1/R > | .159228 | < 1/R**2 > | .215172 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.813026 | .95565425 |
| 2 | 2p | 2.023447 | -1.19148341 |
| 3 | 3p | 4.500596 | -.47757465 |
| 4 | 2p | 10.319350 | .08727187 |
| 5 | 3p | 16.356572 | -.00259300 |
| 6 | 5p | 2.126121 | -.05585750 |
| 7 | 4p | 2.379422 | -.02088689 |
| 8 | 5p | .904065 | .00095770 |
| 9 | 4p | 36.272882 | -.00013817 |
| 10 | 4p | 101.167267 | -.00000192 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.475418 | < R2 > | 2.537298 | < 1/R > | .908411 | < 1/R**2 > | 1.818281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.730697 | 2.05056075 |
| 2 | 1s | 18.603187 | .02929142 |
| 3 | 2s | 6.490575 | -1.20418003 |
| 4 | 3s | 2.958832 | -.03386205 |
| 5 | 4s | 5.403459 | -.38113497 |
| 6 | 5s | 8.659993 | -.12081090 |
| 7 | 4s | 62.146729 | -.00006147 |
| 8 | 2s | .801334 | -.07210230 |
| 9 | 3s | 28.803542 | .00032135 |
| 10 | 5s | 1.288780 | .03912880 |
| 11 | 4s | .431409 | -.00096437 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000001 | < R > | 1.342922 | < R2 > | 2.070946 | < 1/R > | 1.017259 | < 1/R**2 > | 6.073159 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897834 | .47258065 |
| 2 | 3p | 8.064390 | .47426240 |
| 3 | 4p | 6.705128 | .14353548 |
| 4 | 5p | 5.302624 | .00960993 |
| 5 | 2p | 20.011844 | .00691801 |
| 6 | 5p | 15.406197 | -.00705310 |
| 7 | 3p | 48.467426 | .00003749 |
| 8 | 3p | 2.282539 | .00146160 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375312 | < R2 > | .174370 | < 1/R > | 3.450560 | < 1/R**2 > | 16.531512 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489668 | .38362704 |
| 2 | 2s | 7.544851 | -.80325551 |
| 3 | 3s | 6.939323 | -.26219026 |
| 4 | 4s | 30.429219 | .00159663 |
| 5 | 3s | 17.944597 | .00716135 |
| 6 | 2s | 4.311478 | -.08028032 |
| 7 | 5s | 3.281409 | -.01150198 |
| 8 | 4s | 2.970069 | .01405910 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411763 | < R2 > | .200647 | < 1/R > | 3.559472 | < 1/R**2 > | 52.090030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580817 | 1.00986008 |
| 2 | 2s | 22.411451 | -.01728745 |
| 3 | 3s | 14.920191 | .01754131 |
| 4 | 4s | 51.131102 | -.00050661 |
| 5 | 4s | 12.552983 | .00288772 |
| 6 | 5s | 60.169835 | .00012284 |
| 7 | 5s | 16.004875 | -.00409515 |
| 8 | 2s | 34.437665 | -.00228510 |
| 9 | 2s | 85.533137 | .00004380 |
| 10 | 5s | 3.711189 | -.00002718 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554046 | < 1/R**2 > | 621.169879 |
Total Energy= -525.48500473 a.u.
Kinetic Energy= 525.48679176 a.u.
Potential Energy= -1050.97179649 a.u.
Virial Ratio = -1.99999660